Spektraris NMR
Inermiside II
Common Name: Inermiside II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O7/c1-19-26(36)27(37)28(38)29(41-19)42-25-12-14-34(7)23(32(25,4)5)11-13-33(6)21-10-15-35(30(39)40)17-16-31(2,3)18-22(35)20(21)8-9-24(33)34/h19,22-29,36-38H,8-18H2,1-7H3,(H,39,40)/t19-,22?,23+,24+,25+,26-,27+,28-,29+,33+,34+,35-/m1/s1
InChIKey: InChIKey=OFFCNBAVUQWPCF-OLCJICQVSA-N
Formula: C35H56O7
Molecular Weight: 588.816273
Exact Mass: 588.402604
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Cheng, Z.H., Yu, B.Y., Yang, X.W. Phytochemistry (2002) 61, 379-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.18 |
| 2 (CH2) | 26.61 |
| 3 (CH) | 88.71 |
| 4 (C) | 39.41 |
| 5 (CH) | 55.46 |
| 6 (CH2) | 18.48 |
| 7 (CH2) | 39.32 |
| 8 (C) | 37.7 |
| 9 (CH) | 56.18 |
| 10 (C) | 36.93 |
| 11 (CH2) | 17.84 |
| 12 (CH2) | 31.94 |
| 13 (C) | 130.44 |
| 14 (C) | 136.59 |
| 15 (CH2) | 20.94 |
| 16 (CH2) | 24.1 |
| 17 (C) | 44.99 |
| 18 (CH) | 39.61 |
| 19 (CH2) | 41.43 |
| 20 (C) | 30.57 |
| 21 (CH2) | 34.34 |
| 22 (CH2) | 31.5 |
| 23 (CH3) | 27.92 |
| 24 (CH3) | 16.46 |
| 25 (CH3) | 16.39 |
| 26 (CH3) | 20.54 |
| 28 (C) | 180.04 |
| 29 (CH3) | 32.3 |
| 30 (CH3) | 25.1 |
| 1' (CH) | 106.59 |
| 2' (CH) | 75.76 |
| 3' (CH) | 78.18 |
| 4' (CH) | 76.69 |
| 5' (CH) | 72.54 |
| 6' (CH3) | 18.66 |
